4-(4-ethoxy-6-methoxychromenylium-2-yl)benzene-1,2-diol

C18H17O5+ — CID 15445968

IUPAC4-(4-ethoxy-6-methoxychromenylium-2-yl)benzene-1,2-diol
SMILESCCOc1cc(-c2ccc(O)c(O)c2)[o+]c2ccc(OC)cc12
InChIInChI=1S/C18H16O5/c1-3-22-18-10-17(11-4-6-14(19)15(20)8-11)23-16-7-5-12(21-2)9-13(16)18/h4-10H,3H2,1-2H3,(H-,19,20)/p+1
InChIKeyJMPGLXAHBSVJBZ-UHFFFAOYSA-O
MW313.33 g/mol
LogP4.20
Rot. Bonds4

About 4-(4-ethoxy-6-methoxychromenylium-2-yl)benzene-1,2-diol

4-(4-ethoxy-6-methoxychromenylium-2-yl)benzene-1,2-diol (PubChem CID 15445968) has the molecular formula C18H17O5+ and a molecular weight of 313.33 g/mol. Its IUPAC name is 4-(4-ethoxy-6-methoxychromenylium-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(4-ethoxy-6-methoxychromenylium-2-yl)benzene-1,2-diol
PubChem CID15445968
Molecular FormulaC18H17O5+
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name4-(4-ethoxy-6-methoxychromenylium-2-yl)benzene-1,2-diol
SMILESCCOc1cc(-c2ccc(O)c(O)c2)[o+]c2ccc(OC)cc12
InChIInChI=1S/C18H16O5/c1-3-22-18-10-17(11-4-6-14(19)15(20)8-11)23-16-7-5-12(21-2)9-13(16)18/h4-10H,3H2,1-2H3,(H-,19,20)/p+1
InChIKeyJMPGLXAHBSVJBZ-UHFFFAOYSA-O
XLogP4.20
TPSA70.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze 4-(4-ethoxy-6-methoxychromenylium-2-yl)benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-4-ethoxy-2-(4-methoxyphenyl)chromenylium
CID 21177882
4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium
CID 21177874
4-(7-methoxychromenylium-2-yl)benzene-1,2-diol chloride
CID 10566458
4-ethoxy-2-(4-methoxyphenyl)benzo[h]chromen-1-ium chloride
CID 2849208
4-ethoxy-2-methoxyphenol
CID 54107015
4-(2,4-dimethoxyphenyl)-3-ethoxyphenol
CID 54469913
(E)-3-(3,4-dihydroxyphenyl)-1-(2-ethoxy-5-methoxyphenyl)prop-2-en-1-one
CID 14977386
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol
CID 146024273
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
4-(2-methoxybenzo[f]chromen-4-ium-3-yl)benzene-1,2-diol
CID 102065241
2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol
CID 20730822

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-6-methoxychromenylium-2-yl)benzene-1,2-diol?
The IUPAC name of 4-(4-ethoxy-6-methoxychromenylium-2-yl)benzene-1,2-diol (CID 15445968) is 4-(4-ethoxy-6-methoxychromenylium-2-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(4-ethoxy-6-methoxychromenylium-2-yl)benzene-1,2-diol?
The canonical SMILES for 4-(4-ethoxy-6-methoxychromenylium-2-yl)benzene-1,2-diol is CCOc1cc(-c2ccc(O)c(O)c2)[o+]c2ccc(OC)cc12.
What is the InChIKey of 4-(4-ethoxy-6-methoxychromenylium-2-yl)benzene-1,2-diol?
The InChIKey is JMPGLXAHBSVJBZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H16O5/c1-3-22-18-10-17(11-4-6-14(19)15(20)8-11)23-16-7-5-12(21-2)9-13(16)18/h4-10H,3H2,1-2H3,(H-,19,20)/p+1.
What are the key properties of 4-(4-ethoxy-6-methoxychromenylium-2-yl)benzene-1,2-diol?
4-(4-ethoxy-6-methoxychromenylium-2-yl)benzene-1,2-diol has a molecular weight of 313.33 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-6-methoxychromenylium-2-yl)benzene-1,2-diol is sourced from PubChem (CID 15445968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).